HMDB0003020 RDKit 3D Neoxanthin 100102 0 0 0 0 0 0 0 0999 V2000 -7.8486 2.2803 -4.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2860 1.8429 -3.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9906 1.7434 -2.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2416 1.3441 -1.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9335 1.2552 -1.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1441 0.8606 -0.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8444 0.4889 0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8356 0.8187 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9993 0.4107 0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3251 0.4513 0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3236 0.1128 1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6294 0.2159 0.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9002 0.6952 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6791 -0.1593 1.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9506 -0.0260 1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0415 -0.3913 2.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3072 -0.1820 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4817 0.4339 0.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4761 -0.4703 2.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4574 -1.0106 2.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4177 -1.5469 1.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2795 -0.6481 0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3650 0.6845 1.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7184 -0.3714 -0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6907 -1.1946 0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8435 -2.6213 1.0028 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9004 -3.1614 0.2271 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6401 -3.4888 0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4414 -3.0138 1.5467 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2109 -3.6937 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6914 -3.3313 2.8854 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1472 1.5338 -1.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4671 1.6067 -1.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2961 1.2701 -0.7726 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.7055 2.0849 0.3537 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1420 2.0376 -0.0431 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.6150 3.4419 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9168 1.3701 1.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6026 0.1509 0.5451 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.7047 0.4827 -0.2425 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6569 -0.7571 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3057 -0.1984 -0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7514 -0.9907 -1.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3966 -0.5080 0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1338 3.0579 -4.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7994 2.8183 -4.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9453 1.4218 -5.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3978 2.0007 -3.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7576 1.1120 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4145 1.4879 -2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7675 -0.1204 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2577 -0.1514 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1142 1.4105 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3777 1.0263 -1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3648 0.0588 1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 0.7881 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0773 -0.2231 2.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3713 0.0429 -1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9638 0.7355 -0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4293 1.7041 -0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4127 -0.5628 2.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2025 0.3826 0.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9221 -0.8254 3.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8454 1.3648 0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2348 -0.3011 -0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5119 0.8143 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7377 -0.3423 3.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8648 0.5883 2.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8043 1.4345 0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4165 0.9847 1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4231 0.6951 -0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5161 -0.5804 -1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8233 -0.9899 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3757 -0.5875 1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9788 -1.0739 -0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1243 -2.6884 2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8348 -2.7591 -0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4532 -3.5077 -0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8947 -4.5088 1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4656 -2.8671 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3681 -4.3557 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7341 -4.2809 1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6094 -3.6041 3.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7134 1.2233 -1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9464 1.9298 -2.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7106 3.4877 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1278 4.2259 0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5989 3.6849 -1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3143 1.1069 1.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7373 2.0299 1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0379 -0.3871 1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5256 1.2116 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1331 -1.1576 -1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4995 -1.6905 0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7396 -0.2964 -2.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4317 -1.7988 -1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7098 -1.3136 -1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9538 -0.9879 1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5596 -1.1833 0.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9112 0.4636 1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 29 31 1 1 2 32 1 0 32 33 2 0 34 33 1 6 34 35 1 0 35 36 1 0 36 37 1 6 36 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 29 21 1 0 36 34 1 0 42 34 1 0 1 45 1 0 1 46 1 0 1 47 1 0 3 48 1 0 4 49 1 0 5 50 1 0 7 51 1 0 7 52 1 0 7 53 1 0 8 54 1 0 9 55 1 0 10 56 1 0 11 57 1 0 13 58 1 0 13 59 1 0 13 60 1 0 14 61 1 0 15 62 1 0 16 63 1 0 18 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 23 68 1 0 23 69 1 0 23 70 1 0 24 71 1 0 24 72 1 0 24 73 1 0 25 74 1 0 25 75 1 0 26 76 1 1 27 77 1 0 28 78 1 0 28 79 1 0 30 80 1 0 30 81 1 0 30 82 1 0 31 83 1 0 32 84 1 0 33 85 1 0 37 86 1 0 37 87 1 0 37 88 1 0 38 89 1 0 38 90 1 0 39 91 1 1 40 92 1 0 41 93 1 0 41 94 1 0 43 95 1 0 43 96 1 0 43 97 1 0 44 98 1 0 44 99 1 0 44100 1 0 M END